%chk=000162905.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162905

0 1
 O    2.609900      0.6559000     -3.5000001E-03
 O    1.751100      -2.224800      0.3778000    
 O  -5.9700001E-02  -3.814800     -0.6724000    
 N   0.4522000     -0.2689000      0.2523000    
 C  -0.8286000      0.2736000     -0.1528000    
 C   -1.844200      0.2934000      0.7675000    
 C  -0.9583000      0.7398000      -1.435300    
 C   -1.689500     -0.2185000       2.163200    
 C    1.461600      0.6316000      0.8410000    
 C   -3.077100      0.8162000      0.3777000    
 C   -2.191300       1.262900      -1.825300    
 C   -3.250700       1.301000     -0.9188000    
 C   0.7043000      -1.647400      7.3799998E-02
 C   0.1573000      0.7125000      -2.429300    
 C   -1.220200      0.8661000       3.127400    
 C  -0.4120000      -2.446800     -0.5843000    
 C    3.603500       1.544200      0.4893000    
 C    4.791700       1.524000     -0.4485000    
 H   -2.651000     -0.6141000       2.516300    
 H   -1.005300      -1.072300       2.209200    
 H    1.741000      0.2257000       1.819300    
 H    1.046700       1.640100      0.9436000    
 H   -3.911200      0.8548000       1.073400    
 H   -2.343400       1.646200      -2.830800    
 H   -4.210500       1.709100      -1.221900    
 H  -0.1966000      0.9560000      -3.437300    
 H   0.9183000       1.452600      -2.161600    
 H   0.6230000     -0.2749000      -2.492700    
 H  -0.2462000       1.276100       2.855000    
 H   -1.138900      0.4560000       4.139400    
 H   -1.932600       1.697800       3.159900    
 H   -1.337600      -2.381300     -7.7000000E-03
 H  -0.5852000      -2.093300      -1.602400    
 H    3.196300       2.559800      0.5466000    
 H    3.916800       1.229300       1.490900    
 H    5.577700       2.199000     -9.8700002E-02
 H    5.203600      0.5124000     -0.5270000    
 H    4.491200       1.824200      -1.457800    
 H   8.2999999E-03  -4.157500      0.2352000    


%chk=000162905-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162905

0 1
O 2.408944 0.847832 -0.092563
O 1.662255 -2.527903 0.494065
O -0.218308 -4.076439 -0.563896
N 0.481164 -0.516278 0.296286
C -0.718609 0.186820 -0.142949
C -1.770586 0.409901 0.792308
C -0.803737 0.638114 -1.494413
C -1.695990 -0.058321 2.241534
C 1.557940 0.229283 0.935801
C -2.926141 1.101583 0.347500
C -1.976116 1.325995 -1.892107
C -3.030647 1.556942 -0.981663
C 0.625100 -1.889109 0.127484
C 0.315104 0.389710 -2.488519
C -1.517439 1.110439 3.247976
C -0.550772 -2.669415 -0.490838
C 3.600748 1.486633 0.497433
C 4.429275 2.059709 -0.651158
H -2.630241 -0.597139 2.493144
H -0.870328 -0.779941 2.372556
H 2.156999 -0.480804 1.540088
H 1.119063 1.021295 1.576940
H -3.749293 1.272074 1.051816
H -2.058059 1.680258 -2.926074
H -3.931225 2.086855 -1.311342
H 0.163185 0.989172 -3.402010
H 1.295348 0.638046 -2.048073
H 0.357861 -0.674001 -2.795046
H -0.581791 1.667071 3.056392
H -1.483268 0.729439 4.284751
H -2.352166 1.830592 3.175707
H -1.457371 -2.524805 0.131305
H -0.774676 -2.282625 -1.503841
H 3.287366 2.288956 1.202278
H 4.181235 0.729597 1.069034
H 5.339840 2.549507 -0.260782
H 4.732842 1.256466 -1.344014
H 3.845501 2.806117 -1.217041
H 0.701393 -4.165924 -0.177368


